smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH2:1]([O:8][C:9]([NH:11][C:12]1([CH3:25])[CH2:17][CH2:16][N:15](C(OC(C)(C)C)=O)[CH2:14][CH2:13]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.O1CCOCC1>O1CCOCC1>[CH3:25][C:12]1([NH:11][C:9](=[O:10])[O:8][CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1 | 2 |
C(C)OC1=C(C=NC(=C1)OCC1=CC=C(C=C1)OC)C1=NC=C(C(=N1)C)C(=O)O.NC1=CC(=C(C=C1)C(C(=O)N)(C)C)C(F)(F)F>CCN(CC)CC.O1CCOCC1.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>C(C)OC1=C(C=NC(=C1)OCC1=CC=C(C=C1)OC)C1=NC=C(C(=N1)C)NC(NC1=CC(=C(C=C1)C(C(=O)N)(C)C)C(F)(F)F)=O | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[C:15]([OH:17])=[C:14]([C:18]([O:20][CH2:21][CH3:22])=[O:19])[C:13](=[O:23])[NH:12][C:11]=3[CH:10]=[CH:9]2)=[CH:4][CH:3]=1.[OH:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1B(O)O.P([O-])([O-])([O-])=O.[K+].[K+].[K+].C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O.C(O)C>[OH:17][C:15]1[C:16]2[N:8]([C:5]3[CH:6]=[CH:7][C:2]([C:26]4[CH:27]=[CH:28][CH:29]=[CH:30][C:25]=4[OH:24])=[CH:3][CH:4]=3)[CH:9]=[CH:10][C:11]=2[NH:12][C:13](=[O:23])[C:14]=1[C:18]([O:20][CH2:21][CH3:22])=[O:19] | 2 |
C(C)OC(=O)C=1NC(=C(C1C)CCC(=O)OC)C=C1C(NC2=CC=CC=C12)=O>>C(=O)(O)CCC=1C(=C(NC1C=C1C(NC2=CC=CC=C12)=O)C(=O)O)C | 5 |
CN1N=CC(=C1)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C.ClC1=CN=CC2=CC=C(C=C12)N1CC(NCC1)=O>>CN1N=CC(=C1)C1=CC=C(C=C1)C1=CN=CC2=CC=C(C=C12)N1CC(NCC1)=O | 5 |
BrC1=C(C=C(C=C1)[N+](=O)[O-])OC.C(C1=CC=CC=C1)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C>>C(C1=CC=CC=C1)N1N=CC(=C1)C1=C(C=C(C=C1)[N+](=O)[O-])OC | 5 |
COC1=CC=C(CCl)C=C1.BrC1=CC(=CC=2NC=NC21)OC>C1CCCO1.[H-].[Na+]>BrC1=CC(=CC=2N(C=NC21)CC2=CC=C(C=C2)OC)OC | 3 |
Cl.Cl.N1(CCNCC1)C1=NC=NC2=CC=CC=C12.C(C)(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)C1=CC=C(C=C1)Cl>N(C)(C)C=O.CCN(CC)CC.O1CCOCC1.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>Cl.Cl.N[C@@H](C(=O)N1CCN(CC1)C1=NC=NC2=CC=CC=C12)C(C)(C)C1=CC=C(C=C1)Cl | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC1=CC=C(C=C1)C(C(F)F)C[N+](=O)[O-]>O.ClCCl.[Fe].CCO[H].C(C)(C)N(C(C)C)CC.[Cl-].[NH4+]>BrC1=CC=C(C=C1)C(CNC(OC(C)(C)C)=O)C(F)F | 3 |
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][NH:8][C:9](=[O:39])[CH:10]([NH:28][O:29][C:30]([CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)=[O:31])[CH2:11][CH2:12][CH2:13][NH:14][C:15]([NH:17][S:18]([C:21]1[CH:27]=[CH:26][C:24]([CH3:25])=[CH:23][CH:22]=1)(=[O:20])=[O:19])=[NH:16].C(N=C=NCCCN(C)C)C.[CH3:51][CH2:52][C:53]([C:55]([C:57]1[CH:58]=[CH:59][C:60]([O:65][CH2:66][C:67](O)=[O:68])=[C:61]([Cl:64])[C:62]=1[Cl:63])=[O:56])=[CH2:54].C(N(CC)CC)C>CN(C=O)C>[Cl:64][C:61]1[C:62]([Cl:63])=[C:57]([C:55](=[O:56])[C:53](=[CH2:54])[CH2:52][CH3:51])[CH:58]=[CH:59][C:60]=1[O:65][CH2:66][C:67]([NH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][NH:8][C:9](=[O:39])[CH:10]([NH:28][O:29][C:30]([CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)=[O:31])[CH2:11][CH2:12][CH2:13][NH:14][C:15]([NH:17][S:18]([C:21]1[CH:22]=[CH:23][C:24]([CH3:25])=[CH:26][CH:27]=1)(=[O:20])=[O:19])=[NH:16])=[O:68] | 2 |
C([O:4][C@@H:5]1[C@H:10](CC([O-])=O)[C@H:9]([O:15]C(=O)C)[C@@H:8]([O:19][C:20]2[CH:25]=[CH:24][C:23]([N:26]3[C:34]4[C:29](=[CH:30][C:31]([N+:35]([O-:37])=[O:36])=[CH:32][CH:33]=4)[CH2:28][CH2:27]3)=[CH:22][C:21]=2[Cl:38])[O:7][C@@H:6]1[C@@H:39]([O:41]C(=O)C)[CH3:40])(=O)C.C[O-:46].[Na+]>CO>[Cl:38][C:21]1[CH:22]=[C:23]([N:26]2[C:34]3[C:29](=[CH:30][C:31]([N+:35]([O-:37])=[O:36])=[CH:32][CH:33]=3)[CH2:28][CH2:27]2)[CH:24]=[CH:25][C:20]=1[O:19][C@@H:8]1[C@@H:9]([OH:15])[C@@H:10]([OH:46])[C@H:5]([OH:4])[C@@H:6]([C@@H:39]([OH:41])[CH3:40])[O:7]1 | 2 |
NC1=NC=2C=C(C=CC2C2=C1N=C(N2CC2CCN(CC2)C(=O)OC(C)(C)C)COCC)C2=CC=CC=C2>>C(C)OCC=1N(C2=C(C(=NC=3C=C(C=CC23)C2=CC=CC=C2)N)N1)CC1CCNCC1 | 5 |
C(=O)(OC(C)(C)C)N1CCNCC1.C(C1=CC=CC=C1)OC1=NC=C(C=C1)Cl>C1(=CC=CC=C1)C.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].CC(C)(C)[O-].[Na+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>C(C1=CC=CC=C1)OC1=CC=C(C=N1)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH:11]1[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13][CH2:12]1.[CH:18]([N:21]=[C:22]=[O:23])([CH3:20])[CH3:19]>>[CH:18]([NH:21][C:22]([NH:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH:11]1[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13][CH2:12]1)=[O:23])([CH3:20])[CH3:19] | 1 |
O(C1=CC=CC=C1)C1=CC=C(C=C1)B(O)O.BrC1=CSC2=C1C(=NC=C2)N>N(C)(C)C=O.O.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>O(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CSC2=C1C(=NC=C2)N | 3 |
[O:1]1[CH2:3][C@H:2]1[CH2:4][O:5][C:6]1[CH:14]=[CH:13][CH:12]=[C:11]2[C:7]=1[CH:8]=[CH:9][NH:10]2.[Cl:15][C:16]1[CH:17]=[CH:18][C:19]2[CH:23]=[C:22]([C:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH:29]=3)[S:21][C:20]=2[CH:30]=1>C(O)C>[Cl:15][C:16]1[CH:17]=[CH:18][C:19]2[CH:23]=[C:22]([C:24]3[CH2:25][CH2:26][N:27]([CH2:3][C@H:2]([OH:1])[CH2:4][O:5][C:6]4[CH:14]=[CH:13][CH:12]=[C:11]5[C:7]=4[CH:8]=[CH:9][NH:10]5)[CH2:28][CH:29]=3)[S:21][C:20]=2[CH:30]=1 | 1 |
CS(=O)(=O)Cl.NCCCCCCOC=1C=C(CN2CCC3(C(=NC(N3C3=CC(=CC=C3)F)=O)NC3CCCCC3)CC2)C=CC1>>C1(CCCCC1)NC1=NC(N(C12CCN(CC2)CC=2C=C(OCCCCNS(=O)(=O)C)C=CC2)C2=CC(=CC=C2)F)=O | 5 |
CS(=O)(=O)C=1C=C(C=CC1)C(C1CCN(CC1)C(=O)OC(C)(C)C)C=1C=NC=CC1>ClCCl.C(=O)(C(F)(F)F)O>CS(=O)(=O)C=1C=C(C=CC1)C(C=1C=NC=CC1)C1CCNCC1 | 3 |
[CH:1](=[N:8][C:9]([CH3:24])([CH2:15][CH2:16][O:17][CH:18]1[CH2:23][CH2:22][CH2:21][CH2:20][O:19]1)[C:10](OCC)=[O:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-].O>C1COCC1>[CH2:1]([NH:8][C:9]([CH3:24])([CH2:15][CH2:16][O:17][CH:18]1[CH2:23][CH2:22][CH2:21][CH2:20][O:19]1)[CH2:10][OH:11])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
CC1=NC2=CC=C(C=C2C=C1)CO>N(C)(C)C=O.C1CCC2=NCCCN2CC1.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>N(=[N+]=[N-])CC=1C=C2C=CC(=NC2=CC1)C | 3 |
Cl[C:2]1[N:7]=[CH:6][C:5]([O:8][CH2:9][CH:10]2[CH2:15][CH2:14][N:13]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:12][CH2:11]2)=[CH:4][N:3]=1.C(=O)([O-])[O-].[K+].[K+].[Cl:29][C:30]1[CH:31]=[C:32](B(O)O)[CH:33]=[CH:34][CH:35]=1.CCO>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C1(C)C=CC=CC=1>[Cl:29][C:30]1[CH:35]=[C:34]([C:2]2[N:7]=[CH:6][C:5]([O:8][CH2:9][CH:10]3[CH2:15][CH2:14][N:13]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:12][CH2:11]3)=[CH:4][N:3]=2)[CH:33]=[CH:32][CH:31]=1 | 2 |
N#N.[CH3:3][C:4]1[O:5][C:6]([C:12]2[CH:17]=[CH:16][C:15]([NH:18][C:19](=[O:30])[CH2:20][C:21]3[CH:26]=[C:25]([OH:27])[C:24]([OH:28])=[C:23]([OH:29])[CH:22]=3)=[CH:14][C:13]=2[N+:31]([O-])=O)=[CH:7][C:8]=1[C:9]([OH:11])=[O:10]>CO.[Pd]>[NH2:31][C:13]1[CH:14]=[C:15]([NH:18][C:19](=[O:30])[CH2:20][C:21]2[CH:22]=[C:23]([OH:29])[C:24]([OH:28])=[C:25]([OH:27])[CH:26]=2)[CH:16]=[CH:17][C:12]=1[C:6]1[O:5][C:4]([CH3:3])=[C:8]([C:9]([OH:11])=[O:10])[CH:7]=1 | 1 |
C(C1=CC=CC=C1)(=O)N=C=S.NC=1C=C(C(=O)N)C=CC1OC>>COC1=C(C=C(C(=O)N)C=C1)NC(=S)N | 5 |
C1(=CC=C(C=C1)C1=C(C=C2C(=N1)N=C(N2COCC[Si](C)(C)C)S(=O)(=O)C)Cl)C2=CC=CC=C2.C(C)(C)(C)OC(N[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2N)=O>>ClC=1C=C2C(=NC1C1=CC=C(C=C1)C1=CC=CC=C1)N=C(N2COCC[Si](C)(C)C)N[C@@H]2[C@@H]1[C@H](OC2)[C@@H](CO1)NC(OC(C)(C)C)=O | 5 |
OC1=C(C=C(C=C1)C(C(=O)OC)(C)C)C=O>>BrC=1C(=C(C=C(C1)C(C(=O)OC)(C)C)C=O)O | 5 |
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11](=[O:17])[CH2:12][C:13]([O:15][CH3:16])=[O:14])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH3:18][O:19][C:20]1[CH:27]=C[C:23]([CH:24]=O)=[C:22](O)[CH:21]=1.N1CCCCC1>C(O)C>[CH3:18][O:19][C:20]1[CH:27]=[C:16]2[C:23]([CH:24]=[C:12]([C:11](=[O:17])[C:8]3[CH:9]=[CH:10][C:5]([C:1]([CH3:4])([CH3:2])[CH3:3])=[CH:6][CH:7]=3)[C:13](=[O:14])[O:15]2)=[CH:22][CH:21]=1 | 2 |
C(CC(=O)C)(=O)OC(C)(C)C>>C(C)(C)(C)OC(C(C(C)=O)(CO)CO)=O | 5 |
[F:1][C:2]([F:23])([F:22])[C:3]1[CH:21]=[CH:20][CH:19]=[CH:18][C:4]=1[O:5][C@H:6]1[CH2:10][CH2:9][N:8](C(OC(C)(C)C)=O)[CH2:7]1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[F:23][C:2]([F:1])([F:22])[C:3]1[CH:21]=[CH:20][CH:19]=[CH:18][C:4]=1[O:5][C@H:6]1[CH2:10][CH2:9][NH:8][CH2:7]1 | 2 |
[Cl-].[Al+3].[Cl-].[Cl-].[N-:5]=[N+:6]=[N-:7].[Na+].[Cl:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[N:16]=[C:17]=[O:18].N([O-])=O.[Na+].Cl>O.CN(C)C=O>[CH:13]1[CH:12]=[C:11]([N:16]2[NH:7][N:6]=[N:5][C:17]2=[O:18])[C:10]([Cl:9])=[CH:15][CH:14]=1 | 1 |
C(#CCCCCCCCC)C1=C(C=CC(=C1)O[Si](C)(C)C(C)(C)C)C1=C(C=C(C=C1)O[Si](C)(C)C(C)(C)C)C#CCCCCCCCC>>C(CCCCCCC)C=1C2=CC(=CC3=CC(=C4C=C(C=C(C1)C4=C32)O[Si](C)(C)C(C)(C)C)CCCCCCCC)O[Si](C)(C)C(C)(C)C | 5 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@]1(O[C@H](C[C@@H]1O)N1C2=NC(=NC(=C2N=C1)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=C(C=C1)OC)F)C#C>C1CCCO1.C([O-])([O-])=O.[K+].[K+].C(=O)(C=1NC=CN1)C=1NC=CN1>N1(C=NC=C1)C(=O)O[C@@H]1[C@@](O[C@H](C1)N1C2=NC(=NC(=C2N=C1)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=C(C=C1)OC)F)(C#C)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C | 3 |
[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[C:4]([CH3:9])[C:3]=1[S:10](Cl)(=[O:12])=[O:11].[OH:14][NH:15][C:16](=[O:22])[O:17][C:18]([CH3:21])([CH3:20])[CH3:19]>C(OCC)C>[C:2]1([CH3:1])[CH:7]=[C:6]([CH3:8])[CH:5]=[C:4]([CH3:9])[C:3]=1[S:10]([O:14][NH:15][C:16](=[O:22])[O:17][C:18]([CH3:21])([CH3:20])[CH3:19])(=[O:11])=[O:12] | 2 |
[NH2:1][C@@H:2]1[CH2:7][CH2:6][C@H:5]([N:8]2[C:12]3[CH:13]=[CH:14][C:15]([Cl:17])=[CH:16][C:11]=3[N:10]=[C:9]2[C:18]([OH:21])([CH3:20])[CH3:19])[CH2:4][CH2:3]1.[CH2:22]1[C:30]2[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=2)[CH2:24][CH:23]1[CH:31]=O>>[Cl:17][C:15]1[CH:14]=[CH:13][C:12]2[N:8]([C@H:5]3[CH2:4][CH2:3][C@@H:2]([NH:1][CH2:31][CH:23]4[CH2:22][C:30]5[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=5)[CH2:24]4)[CH2:7][CH2:6]3)[C:9]([C:18]([OH:21])([CH3:19])[CH3:20])=[N:10][C:11]=2[CH:16]=1 | 1 |
F[C@@H]1CN(CC[C@@H]1OC1=C(C#N)C=C(C=C1)B1OC(C(O1)(C)C)(C)C)C(CO)=O.ClC1=NC(=NC=N1)NC1=CC(=NC=C1)C(C)(C)O>C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>F[C@@H]1CN(CC[C@@H]1OC1=C(C#N)C=C(C=C1)C1=NC=NC(=N1)NC1=CC(=NC=C1)C(C)(C)O)C(CO)=O | 3 |
ClC=1C=CC(=NC1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.C(C1=CC=CC=C1)OC(=O)N1C(CC(C=C1)=O)C1=CC=CC=C1>>COC=1C=C(C=CC1)C1C=C(CCN1C(=O)OCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F | 5 |
CB(O)O.ClC1=C(C=C2C=C(C(=NC2=N1)C(F)(F)F)C(=O)OCC)F>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].COC1=C(C(=CC=C1)OC)C1=C(C=CC=C1)P(C1CCCCC1)C1CCCCC1>FC=1C=C2C=C(C(=NC2=NC1C)C(F)(F)F)C(=O)OCC | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:18]=[CH:19][CH:20]=1)[CH2:5][NH:6][C:7]([C:9]1[CH:17]=[C:16]2[C:12]([CH:13]=[N:14][NH:15]2)=[CH:11][CH:10]=1)=[O:8].Cl[CH2:22][CH2:23][N:24]1[CH2:28][CH2:27][O:26][C:25]1=[O:29].N1C2C(=CC=CC=2)C=N1>>[Cl:1][C:2]1[CH:3]=[C:4]([CH:18]=[CH:19][CH:20]=1)[CH2:5][NH:6][C:7]([C:9]1[CH:10]=[CH:11][C:12]2[C:16]([CH:17]=1)=[N:15][N:14]([CH2:22][CH2:23][N:24]1[CH2:28][CH2:27][O:26][C:25]1=[O:29])[CH:13]=2)=[O:8] | 2 |
FC1=C(C(=CC(=C1)[N+](=O)[O-])F)N1CCN(CC1)C1COC1>C(C)(=O)OCC.CO.O1CCCC1>FC=1C=C(N)C=C(C1N1CCN(CC1)C1COC1)F | 3 |
C1([Mg]Br)CC1.[NH2:6][C:7]1[CH:8]=[C:9]([CH:12]=[C:13]([O:15][CH3:16])[CH:14]=1)C#N.Cl.[CH2:18]1[CH2:22][O:21][CH2:20][CH2:19]1>[Cu]Br>[NH2:6][C:7]1[CH:8]=[C:9]([C:20]([CH:19]2[CH2:22][CH2:18]2)=[O:21])[CH:12]=[C:13]([O:15][CH3:16])[CH:14]=1 | 2 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:13]=[CH:14][CH:15]=1)[C:5]([C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)=O.[CH:16]([NH2:18])=[O:17]>O>[OH:1][C:2]1[CH:3]=[C:4]([CH:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[NH:18][CH:16]=[O:17])[CH:13]=[CH:14][CH:15]=1 | 1 |
CSC=1SC(=C2C1C=1SC(=CC1CC2)C2=CC=CC=C2)C(=O)O.O1C(=NC=C1)Cl>N(C)(C)C=O.C1CCCO1>CSC=1SC(=C2C1C=1SC(=CC1CC2)C2=CC=CC=C2)C(=O)N | 3 |
SC1=CC=C(C=C1)O.BrC[C@H]1[C@@H](CCCC1)C(=O)NCC#N>C(=O)([O-])[O-].[Cs+].[Cs+]>C(#N)CNC(=O)[C@H]1[C@@H](CCCC1)CSC1=CC=C(C=C1)O | 3 |
C(N(CC)CC)C.[CH3:8][C:9]1([CH3:17])[O:14][C:13](=[O:15])[CH2:12][C:11](=[O:16])[CH2:10]1.[Cl:18][C:19]1[CH:20]=[C:21]([N:26]=[C:27]=[O:28])[CH:22]=[CH:23][C:24]=1[Cl:25]>CN(C=O)C>[Cl:18][C:19]1[CH:20]=[C:21]([NH:26][C:27]([CH:12]2[C:11](=[O:16])[CH2:10][C:9]([CH3:17])([CH3:8])[O:14][C:13]2=[O:15])=[O:28])[CH:22]=[CH:23][C:24]=1[Cl:25] | 2 |
C1(CC1)C(=O)O.NC[C@H]1CN(C(O1)=O)C1=CC(=C(C=C1)C1=CC=C(C=C1)SC)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC1=C(C=CC(=C1)N1C(O[C@H](C1)CNC(=O)C1CC1)=O)C1=CC=C(C=C1)SC | 3 |
Br[C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[C:9]([CH3:12])[CH:8]=[CH:7]2.[CH2:13](N(CC)CC)[CH3:14]>C(O)C>[CH3:12][C:9]1[CH:8]=[CH:7][C:6]2[C:11](=[C:2]([CH:13]=[CH2:14])[CH:3]=[CH:4][CH:5]=2)[N:10]=1 | 1 |
C(C)(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@@]4(C)CC[C@@H]3[C@]2(CC1)CC#N)OC(C)=O>>C(#N)C[C@]12CC[C@@H](CC1=CC[C@H]1[C@@H]3CC[C@@H]([C@@]3(C)CC[C@H]21)O)O | 5 |
C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NCC(=O)O>ClCCl.c1ccncc1.N1=C(F)N=C(F)N=C1F>C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)NCC(=O)F | 3 |
[CH3:1][C:2]1[O:6][N:5]=[C:4]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[C:3]=1[CH2:13][O:14][C:15]1[CH:23]=[CH:22][C:18]([C:19]([OH:21])=O)=[CH:17][N:16]=1.[NH2:24][C@H:25]([CH2:29][OH:30])[CH:26]([CH3:28])[CH3:27]>>[OH:30][CH2:29][C@@H:25]([NH:24][C:19](=[O:21])[C:18]1[CH:22]=[CH:23][C:15]([O:14][CH2:13][C:3]2[C:4]([C:7]3[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=3)=[N:5][O:6][C:2]=2[CH3:1])=[N:16][CH:17]=1)[CH:26]([CH3:28])[CH3:27] | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:15][CH2:16][CH3:17])=[C:9]([O:12][CH2:13][CH3:14])[CH:10]=2)[N:5]=[CH:4][C:3]=1[C:18]#[N:19].[NH2:20][C:21]1[CH:22]=[CH:23][C:24]2[CH:28]=[CH:27][S:26](=[O:30])(=[O:29])[C:25]=2[CH:31]=1.Cl.N1C=CC=CC=1.C(=O)([O-])[O-].[Na+].[Na+]>COCCO.CCCCCC.CC(C)=O>[O:29]=[S:26]1(=[O:30])[CH:27]=[CH:28][C:24]2[CH:23]=[CH:22][C:21]([NH:20][C:2]3[C:11]4[C:6](=[CH:7][C:8]([O:15][CH2:16][CH3:17])=[C:9]([O:12][CH2:13][CH3:14])[CH:10]=4)[N:5]=[CH:4][C:3]=3[C:18]#[N:19])=[CH:31][C:25]1=2 | 1 |
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3([C:13]([NH:15][C:16]4[CH:17]=[C:18]5[C:22](=[CH:23][CH:24]=4)[NH:21][C:20]([C:25](O)=[O:26])=[CH:19]5)=[O:14])[CH2:12][CH2:11]3)=[CH:9][C:4]=2[O:3][CH2:2]1.[CH3:28][C:29]([NH2:32])([CH3:31])[CH3:30].C(N(CC)CC)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C)C=O>[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3([C:13]([NH:15][C:16]4[CH:17]=[C:18]5[C:22](=[CH:23][CH:24]=4)[NH:21][C:20]([C:25]([NH:32][C:29]([CH3:31])([CH3:30])[CH3:28])=[O:26])=[CH:19]5)=[O:14])[CH2:12][CH2:11]3)=[CH:9][C:4]=2[O:3][CH2:2]1 | 2 |
FC(C1=CC=C(C=C1)B(O)O)(F)F.BrC1=CC=C(C=C1)C[N+](=O)[O-]>>[N+](=O)([O-])CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F | 5 |
C(CC(=O)OCC)(=O)OCC.BrC(C)C>CCO[H].[Na].NC(=O)N>C(C)(C)C1C(NC(NC1=O)=O)=O | 3 |
O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)NCC1CCC2(CN(C2)C(=O)OC(C)(C)C)CC1)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>C1NCC12CCC(CC2)CNC2=C1C(N(C(C1=CC=C2)=O)C2C(NC(CC2)=O)=O)=O | 3 |
COC1=CC=C(C=O)C=C1.Cl.N[C@H](C(=O)OC(C)(C)C)CCCCNC(=O)OCC1=CC=CC=C1>CO[H].C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)OC(=O)NCCCCC(C(=O)OC(C)(C)C)/N=C/C1=CC=C(C=C1)OC | 3 |
[CH:1]([C:4]1[CH:5]=[C:6]([OH:10])[CH:7]=[CH:8][CH:9]=1)([CH3:3])[CH3:2].C(N(C(C)C)CC)(C)C.[CH3:20][O:21][CH2:22]Cl>C(Cl)Cl.O>[CH:1]([C:4]1[CH:5]=[C:6]([O:10][CH2:20][O:21][CH3:22])[CH:7]=[CH:8][CH:9]=1)([CH3:3])[CH3:2] | 1 |
ClC1=NC=CC=2C(=CC=C(C12)OC)S(=O)(=O)O>>C(C)(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C=1C=2C=CN=C(C2C(=CC1)OC)Cl | 5 |
[C:1]1([C:7]2[C:11]3[C:12]([O:16][CH2:17][CH:18]4[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]4)=[N:13][N:14]=[CH:15][C:10]=3[O:9][N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:24]1([C:30]2[CH:34]=[C:33]([CH:35]=O)[O:32][N:31]=2)[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>>[C:1]1([C:7]2[C:11]3[C:12]([O:16][CH2:17][CH:18]4[CH2:23][CH2:22][N:21]([CH2:35][C:33]5[O:32][N:31]=[C:30]([C:24]6[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=6)[CH:34]=5)[CH2:20][CH2:19]4)=[N:13][N:14]=[CH:15][C:10]=3[O:9][N:8]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
CC1=C(C(=CC(=C1)C)C)NC(=O)NC=1C(=CC2=CC=CC=C2C1)C(=O)NC1(CCCC1)C(=O)OC>C1CCCO1.CO[H].[OH-].[Li+]>CC1=C(C(=CC(=C1)C)C)NC(=O)NC=1C(=CC2=CC=CC=C2C1)C(=O)NC1(CCCC1)C(=O)O | 3 |
ClC=1C=C2C=C(NC2=CC1)C(=O)O.N[C@H]1[C@@H](C2=CC=CC=C2C1)COC(C(=O)OC(C)(C)C)C>CN(C(C)=O)C.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>ClC=1C=C2C=C(NC2=CC1)C(=O)N[C@H]1[C@@H](C2=CC=CC=C2C1)COC(C(=O)OC(C)(C)C)C | 3 |
[CH:1]12[CH2:7][CH:4]([CH2:5][CH2:6]1)[CH2:3][CH:2]2[N:8]1[C:11](=[O:12])[C:10]([CH3:14])([CH3:13])[NH:9]1.Br[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=1[O:22][CH3:23]>>[CH:1]12[CH2:7][CH:4]([CH2:5][CH2:6]1)[CH2:3][CH:2]2[N:8]1[C:11](=[O:12])[C:10]([CH3:14])([CH3:13])[N:9]1[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=1[O:22][CH3:23] | 1 |
ClC1=CC=C(C=C1)O.BrC1=NC=C(C=C1)C>>ClC1=CC=C(OC2=NC=C(C=C2)C)C=C1 | 5 |
F.[F:2][C:3]1[CH:4]=[C:5]([C:9]2[CH:14]=[CH:13][C:12]([O:15][CH2:16][CH:17]([O:26][Si](C(C)(C)C)(C)C)[CH2:18][CH2:19][C:20]3[CH:21]=[N:22][CH:23]=[CH:24][CH:25]=3)=[CH:11][CH:10]=2)[CH:6]=[CH:7][CH:8]=1.C(=O)(O)[O-].[Na+]>C(#N)C>[F:2][C:3]1[CH:4]=[C:5]([C:9]2[CH:10]=[CH:11][C:12]([O:15][CH2:16][CH:17]([OH:26])[CH2:18][CH2:19][C:20]3[CH:21]=[N:22][CH:23]=[CH:24][CH:25]=3)=[CH:13][CH:14]=2)[CH:6]=[CH:7][CH:8]=1 | 1 |
[C:1]([CH2:6][C:7]([O:9]CC)=O)(=O)[CH:2]([CH3:4])[CH3:3].[CH3:12][NH:13][NH2:14]>C(O)C>[OH:9][C:7]1[N:13]([CH3:12])[N:14]=[C:1]([CH:2]([CH3:4])[CH3:3])[CH:6]=1 | 1 |
[NH:1]1[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.[F:7][C:8]([F:58])([F:57])[C:9]1[CH:10]=[C:11]([C@H:19]2[O:23][C:22](=[O:24])[N:21]([CH2:25][C:26]3[C:31]([C:32]4[CH:33]=[C:34]([C:40]5[C:49]([CH3:50])=[CH:48][C:43]([C:44]([O:46]C)=[O:45])=[CH:42][C:41]=5[CH3:51])[CH:35]=[N:36][C:37]=4[O:38][CH3:39])=[CH:30][N:29]=[C:28](S(C)(=O)=O)[N:27]=3)[C@H:20]2[CH3:56])[CH:12]=[C:13]([C:15]([F:18])([F:17])[F:16])[CH:14]=1>C1COCC1>[F:17][C:15]([F:16])([F:18])[C:13]1[CH:12]=[C:11]([C@H:19]2[O:23][C:22](=[O:24])[N:21]([CH2:25][C:26]3[C:31]([C:32]4[CH:33]=[C:34]([C:40]5[C:41]([CH3:51])=[CH:42][C:43]([C:44]([OH:46])=[O:45])=[CH:48][C:49]=5[CH3:50])[CH:35]=[N:36][C:37]=4[O:38][CH3:39])=[CH:30][N:29]=[C:28]([N:1]4[CH2:6][CH2:5][O:4][CH2:3][CH2:2]4)[N:27]=3)[C@H:20]2[CH3:56])[CH:10]=[C:9]([C:8]([F:7])([F:58])[F:57])[CH:14]=1 | 1 |
[C:1]([O:5][C:6]([NH:8][CH:9]1[CH2:13][CH:12]([C:14](O)=[O:15])[CH:11]=[CH:10]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].B.C1COCC1>C1COCC1>[OH:15][CH2:14][CH:12]1[CH2:13][CH:9]([NH:8][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])[CH:10]=[CH:11]1 | 1 |
FC1=CC=C2C(=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1)C1=CC2=C(NC(=N2)CCC(=O)O)C=C1>C1CCCO1.CCN(CC)CC.[Cl-].[NH4+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC1=CC=C2C(=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1)C=1C=CC2=C(N=C3N2C(CC3)=O)C1 | 3 |
C(C)(C)OC(=O)N1CCC(CC1)OC1=C2C(=NC=N1)N(N=C2)C2=C(C=C(C=C2)I)C.CS(=O)(=O)CCN1CCNCC1>[Cu]I.C([O-])([O-])=O.[K+].[K+].CS(=O)C.N1[C@H](C(=O)O)CCC1>C(C)(C)OC(=O)N1CCC(CC1)OC1=C2C(=NC=N1)N(N=C2)C2=C(C=C(C=C2)N2CCN(CC2)CCS(=O)(=O)C)C | 3 |
COC=1C=C(C(=O)Cl)C=CC1OC.C(C)(C)(C)OC(NC1=C(C=CC=C1)NC(C1=CC=C(C=C1)C(CO)N)=O)=O>>C(C)(C)(C)OC(NC1=C(C=CC=C1)NC(C1=CC=C(C=C1)CC(O)NC(C1=CC(=C(C=C1)OC)OC)=O)=O)=O | 5 |
[Br-].C1(CC1)[Zn+].CC=1C=C(C=CC1C)C=1NC(C=2N(C1)N=C(C2I)C(=O)OCC)=O>C1CCCO1.Cl.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.CN(C)c3cccc(N(C)C)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>C1(CC1)C=1C(=NN2C1C(NC(=C2)C2=CC(=C(C=C2)C)C)=O)C(=O)OCC | 3 |
[F:1][C:2]([F:21])([F:20])[C:3]1[CH:8]=[CH:7][N:6]=[C:5]([CH:9](C(OCC)=O)[C:10]([O:12][CH2:13]C)=[O:11])[CH:4]=1.C[O-].[Na+].Cl>CO>[F:21][C:2]([F:1])([F:20])[C:3]1[CH:8]=[CH:7][N:6]=[C:5]([CH2:9][C:10]([O:12][CH3:13])=[O:11])[CH:4]=1 | 2 |
[Cl:1][C:2]1[C:3]([C:8]([OH:10])=O)=[N:4][CH:5]=[CH:6][N:7]=1.C(Cl)Cl.CN(C)C=O.C(Cl)(=O)C(Cl)=O.[CH2:25]([NH:27][C:28]([NH:30][C:31]1[CH:36]=[CH:35][C:34]([C:37]2[N:38]=[C:39]([N:47]3[CH2:52][CH2:51][O:50][CH2:49][CH2:48]3)[C:40]3[CH2:46][CH2:45][NH:44][CH2:43][C:41]=3[N:42]=2)=[CH:33][CH:32]=1)=[O:29])[CH3:26].C(N(CC)C(C)C)(C)C>>[Cl:1][C:2]1[C:3]([C:8]([N:44]2[CH2:45][CH2:46][C:40]3[C:39]([N:47]4[CH2:52][CH2:51][O:50][CH2:49][CH2:48]4)=[N:38][C:37]([C:34]4[CH:33]=[CH:32][C:31]([NH:30][C:28]([NH:27][CH2:25][CH3:26])=[O:29])=[CH:36][CH:35]=4)=[N:42][C:41]=3[CH2:43]2)=[O:10])=[N:4][CH:5]=[CH:6][N:7]=1 | 1 |
C(#N)C=1C=C(C(=O)NC=2C(=C3C(=NC2)N(C=C3C3CCN(C2(CC2)C3)C(=O)OC(C)(C)C)C)C)C=CC1>>C(#N)C=1C=C(C(=O)NC=2C(=C3C(=NC2)N(C=C3C3CCNC2(CC2)C3)C)C)C=CC1 | 5 |
N1(CCCC1)C[C@@H]1NCCC1.ClC1=C(C(=CC=C1)Cl)CS(=O)(=O)C=1C=C2/C(/C(NC2=CC1)=O)=C/C1=C(C(=C(N1)C)CCC(=O)O)C>>ClC1=C(C(=CC=C1)Cl)CS(=O)(=O)C=1C=C2/C(/C(NC2=CC1)=O)=C/C=1NC(=C(C1C)CCC(N1[C@H](CCC1)CN1CCCC1)=O)C | 5 |
C(CC)O.BrC=1C=C(C=2N(C1)C(=C(N2)C(=O)N2CCC(CC2)N2C(OCC2)=O)Cl)C(F)(F)F>CCN(CC)CC.I(=O)(=O)(=O)[O-].[Na+].[Os](=O)(=O)(=O)=O.C(=C)[B-](F)(F)F.[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>ClC1=C(N=C2N1C=C(C=C2C(F)(F)F)C=O)C(=O)N2CCC(CC2)N2C(OCC2)=O | 3 |
[NH2:1][C:2]1[N:10]=[C:9]([SH:11])[N:8]=[C:7]2[C:3]=1[N:4]=[C:5]([OH:19])[N:6]2[CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C(=O)([O-])[O-].[K+].[K+].[CH2:26]([O:33][CH2:34]Cl)[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>CN(C)C=O>[NH2:1][C:2]1[N:10]=[C:9]([S:11][CH2:34][O:33][CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[N:8]=[C:7]2[C:3]=1[N:4]=[C:5]([OH:19])[N:6]2[CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
ClC1=CC(C=2C=CC=3OC(CCC3C2C1=O)(C)C)=O>>ClC=1C(C=2C=CC=3OC(CCC3C2C(C1Cl)=O)(C)C)=O | 5 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][N:3]=1.[CH3:9][C:10](=O)[CH2:11][CH2:12][C:13](=O)[CH3:14].C1(C)C=CC(S(O)(=O)=O)=CC=1>CCCCCCC>[Br:8][C:5]1[CH:6]=[CH:7][C:2]([N:1]2[C:13]([CH3:14])=[CH:12][CH:11]=[C:10]2[CH3:9])=[N:3][CH:4]=1 | 1 |
C12C(C3CC(CC(C1)C3)C2)O>C1(=CC=CC=C1)C.C=CC1=CC=CC=C1.[Cu].[O-2].[Al+3].[O-2].[O-2].[Al+3]>C12C(C3CC(CC(C1)C3)C2)=O | 3 |
[N:1]1[C:6]2[NH:7][CH:8]=[CH:9][C:5]=2[C:4]([N:10]2[CH2:14][CH2:13][C@@H:12]([N:15]([CH3:26])[C:16]3[CH:21]=[CH:20][C:19]([N+:22]([O-])=O)=[C:18]([NH2:25])[N:17]=3)[CH2:11]2)=[N:3][CH:2]=1>C(O)C>[N:1]1[C:6]2[NH:7][CH:8]=[CH:9][C:5]=2[C:4]([N:10]2[CH2:14][CH2:13][C@@H:12]([N:15]([CH3:26])[C:16]3[CH:21]=[CH:20][C:19]([NH2:22])=[C:18]([NH2:25])[N:17]=3)[CH2:11]2)=[N:3][CH:2]=1 | 1 |
COC(=O)NCCCN(C1CN(CCC1)C(=O)N[C@H](CN(C(OC(C)(C)C)=O)C)CC1CCCCC1)C1=C(C=CC(=C1)Cl)C>C(=O)(C(F)(F)F)O>ClC=1C=CC(=C(C1)N(CCCNC(OC)=O)[C@@H]1CN(CCC1)C(N[C@@H](CC1CCCCC1)CNC)=O)C.ClC=1C=CC(=C(C1)N(CCCNC(OC)=O)[C@H]1CN(CCC1)C(N[C@@H](CC1CCCCC1)CNC)=O)C | 3 |
OCC1=CC(=C(C(=C1)C)O)C>ClCCl.CCN(CC)CC.C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F>C(=O)C1=CC(=C(C(=C1)C)OS(=O)(=O)C(F)(F)F)C | 3 |
Cl.FC1=CC=C(C=C1)NN.O\C(\C(=O)OCC)=C/C(CC(C)C)=O>>FC1=CC=C(C=C1)N1N=C(C=C1CC(C)C)C(=O)OCC | 5 |
C[O:2][C:3](=[O:22])[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH3:11])=[C:6]([O:12][CH2:13][CH2:14][C:15]2[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][N:16]=2)[CH:5]=1.O.O.[OH-].[Li+].Cl>CO>[Cl:21][C:18]1[CH:19]=[CH:20][C:15]([CH2:14][CH2:13][O:12][C:6]2[CH:5]=[C:4]([CH:9]=[CH:8][C:7]=2[O:10][CH3:11])[C:3]([OH:22])=[O:2])=[N:16][CH:17]=1 | 1 |
ClC1=CC=C(C=C1)NC1=NC2=C(N1C)C=CC(=C2)OC2=CC(=NC=C2)C#N>S(O)(O)(=O)=O.C(CN)N>ClC1=CC=C(C=C1)NC1=NC2=C(N1C)C=CC(=C2)OC2=CC(=NC=C2)C=2NCCN2 | 3 |
[N:1]1[CH:6]=[CH:5][C:4]([NH:7][NH2:8])=[CH:3][CH:2]=1.[CH2:9]([CH2:11][CH2:12][CH2:13][C:14](CC([O-])=O)=[O:15])[CH3:10]>>[CH2:11]([C:12]1[CH2:13][C:14](=[O:15])[N:7]([C:4]2[CH:5]=[CH:6][N:1]=[CH:2][CH:3]=2)[N:8]=1)[CH2:9][CH3:10] | 1 |
FC=1C(=C(C=CC1F)[C@H]1[C@@H](O[C@]([C@H]1C)(C(F)(F)F)C)C(=O)NC=1C(=NN(C1)C(F)F)C)CCO>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>CS(=O)(=O)OCCC1=C(C(=CC=C1[C@H]1[C@@H](O[C@]([C@H]1C)(C(F)(F)F)C)C(NC=1C(=NN(C1)C(F)F)C)=O)F)F | 3 |
[CH3:1][N:2]1[CH:6]=[C:5]([NH:7][C:8]([C:10]2[CH:11]=[CH:12][C:13]3[CH:14]=[C:15]4[C:21](=[O:22])[NH:20][CH2:19][CH2:18][CH2:17][N:16]4[C:23]=3[N:24]=2)=[O:9])[N:4]=[C:3]1[C:25]([O:27]CC)=[O:26].[OH-].[Na+]>CO>[CH3:1][N:2]1[CH:6]=[C:5]([NH:7][C:8]([C:10]2[CH:11]=[CH:12][C:13]3[CH:14]=[C:15]4[C:21](=[O:22])[NH:20][CH2:19][CH2:18][CH2:17][N:16]4[C:23]=3[N:24]=2)=[O:9])[N:4]=[C:3]1[C:25]([OH:27])=[O:26] | 1 |
C(C)B(O)O.ClC1=CC(=NC(=C1)Cl)N1CCOCC1>C1(=CC=CC=C1)C.O.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=CC(=NC(=C1)CC)N1CCOCC1 | 3 |
[I:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][CH:8]=1)[NH2:5].C(N(CC)CC)C.[CH:16]1([C:19](Cl)=[O:20])[CH2:18][CH2:17]1>C(Cl)Cl>[I:1][C:2]1[CH:3]=[C:4]([NH:5][C:19]([CH:16]2[CH2:18][CH2:17]2)=[O:20])[CH:6]=[CH:7][CH:8]=1 | 1 |
COC=1C(C(C1OC)=O)=O.S1C2=C(C=C1C=1C=C(C=C3C=NNC13)N)C=CC=C2>>S1C2=C(C=C1C=1C=C(C=C3C=NNC13)NC=1C(C(C1OC)=O)=O)C=CC=C2 | 5 |
Cl.CNOC.N1=CC=C2N1C=CC(=C2)C(=O)O>ClCCl.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CON(C(=O)C1=CC=2N(C=C1)N=CC2)C | 3 |
[CH3:1][C:2]1[C:3]([CH2:25][S:26][C:27]2[NH:31][C:30]3[CH:32]=[CH:33][CH:34]=[CH:35][C:29]=3[N:28]=2)=[N:4][CH:5]=[CH:6][C:7]=1[S:8][CH2:9][CH2:10][N:11]([CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)[CH2:12][C:13]([O:15]CC)=[O:14].[OH-].[Na+]>C(O)C>[CH3:1][C:2]1[C:3]([CH2:25][S:26][C:27]2[NH:28][C:29]3[CH:35]=[CH:34][CH:33]=[CH:32][C:30]=3[N:31]=2)=[N:4][CH:5]=[CH:6][C:7]=1[S:8][CH2:9][CH2:10][N:11]([CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)[CH2:12][C:13]([OH:15])=[O:14] | 1 |
FC1=C(C(=O)Cl)C(=CC(=C1)F)F.C(C)(C)(C)OC(=O)NNC(C1=CC=C(C=C1)F)=S.COC=1C(=C(C=O)C=CC1)O[Si](C(C)C)(C(C)C)C(C)C>ClCCl.C(C)(C)N(C(C)C)CC>FC1=CC=C(C=C1)C1=NN(C(S1)C1=C(C(=CC=C1)O[Si](C(C)C)(C(C)C)C(C)C)OC)C(=O)C1=C(C=C(C=C1F)F)F | 3 |
[CH:1]1[C:6]([CH2:7][C:8]2[CH:13]=[CH:12][C:11]([N:14]=[C:15]=[O:16])=[CH:10][CH:9]=2)=[CH:5][CH:4]=[C:3]([N:17]=[C:18]=[O:19])[CH:2]=1.[CH2:20]([CH:22]([NH:25][OH:26])[CH2:23][CH3:24])[CH3:21]>O1CCCC1>[CH2:7]([C:6]1[CH:5]=[CH:4][C:3]([NH:17][C:18](=[O:19])[N:25]([OH:26])[CH:22]([CH2:23][CH3:24])[CH2:20][CH3:21])=[CH:2][CH:1]=1)[C:8]1[CH:13]=[CH:12][C:11]([NH:14][C:15](=[O:16])[N:25]([CH:22]([CH2:23][CH3:24])[CH2:20][CH3:21])[OH:26])=[CH:10][CH:9]=1 | 1 |
C(=O)([O-])[O-].[Na+].[Na+].[O:7]1[CH:11]2[O:12][CH2:13][CH2:14][CH:10]2[CH:9]([OH:15])[CH2:8]1.[C:16](OC(=O)C)(=[O:18])[CH3:17]>>[C:16]([O:15][CH:9]1[CH:10]2[CH:11]([O:12][CH2:13][CH2:14]2)[O:7][CH2:8]1)(=[O:18])[CH3:17] | 2 |
[S:1]1[CH:5]=[CH:4][C:3]2[C:6](=[O:10])[CH2:7][CH2:8][CH2:9][C:2]1=2.O.[Br:12]Br>C(O)(=O)C>[Br:12][C:5]1[S:1][C:2]2[CH2:9][CH2:8][CH2:7][C:6](=[O:10])[C:3]=2[CH:4]=1 | 1 |
CSCCCl.BrC1=NN(C(C2=CC(=CC=C12)NC)=O)C(C)C>N(C)(C)C=O.[H-].[Na+]>BrC1=NN(C(C2=CC(=CC=C12)N(CCSC)C)=O)C(C)C | 3 |
[N+](=O)([O-])CC(CC(=O)OCC)CCC>CO[H].[HH]>C(CC)C1CC(NC1)=O | 3 |
C(C1=CC=CC=C1)C1(C(C=2NC3=CC(=C(C=C3C2CC1)Cl)Cl)=O)Br>>C(C1=CC=CC=C1)C1=C(C=2NC3=CC(=C(C=C3C2C=C1)Cl)Cl)O | 5 |
BrCCOC1=CC=C(C=O)C=C1.OC=1C=C2C=CC=NC2=CC1>>N1=CC=CC2=CC(=CC=C12)OCCOC1=CC=C(C=O)C=C1 | 5 |
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